1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one

C12H12BrFO — CID 114978332

IUPAC1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one
SMILESO=C(CCC1CC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H12BrFO/c13-10-5-4-9(7-11(10)14)12(15)6-3-8-1-2-8/h4-5,7-8H,1-3,6H2
InChIKeyOHJGDNBKPLRKMI-UHFFFAOYSA-N
MW271.13 g/mol
LogP3.96
Rot. Bonds4

About 1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one

1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one (PubChem CID 114978332) has the molecular formula C12H12BrFO and a molecular weight of 271.13 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one
PubChem CID114978332
Molecular FormulaC12H12BrFO
Molecular Weight271.13 g/mol
Exact Mass270.01
IUPAC Name1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one
SMILESO=C(CCC1CC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H12BrFO/c13-10-5-4-9(7-11(10)14)12(15)6-3-8-1-2-8/h4-5,7-8H,1-3,6H2
InChIKeyOHJGDNBKPLRKMI-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 18507946
1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one
CID 114978147
3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
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3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 43474035
1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one
CID 24725587
3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one
CID 114978303
1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutan-1-one
CID 114974614
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122391
1-(4-bromo-3-fluorophenyl)-3-methylbutan-1-one
CID 114962413
1-(4-amino-3-chlorophenyl)-3-cyclopropylpropan-1-one
CID 116581916

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one (CID 114978332) is 1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one is O=C(CCC1CC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one?
The InChIKey is OHJGDNBKPLRKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFO/c13-10-5-4-9(7-11(10)14)12(15)6-3-8-1-2-8/h4-5,7-8H,1-3,6H2.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one?
1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one has a molecular weight of 271.13 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one is sourced from PubChem (CID 114978332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).